Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "435762a6ab20ccd03807474a93b50416",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 86.327,
"b": 86.327,
"c": 107.064,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.350,1.500],
"number_observations": 567404,
"number_observations_unique": 65627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.500],
"number_observations": 14105,
"number_observations_unique": 3067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.914
},
{
"type": "R(pim)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.439
}
]
},
{
"resolution_limits": [29.350,8.200],
"number_observations": 3805,
"number_observations_unique": 481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 43.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}